5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C18H27N3O2S — CID 95120298

IUPAC5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCC(C)N1CCC(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)CC1
InChIInChI=1S/C18H27N3O2S/c1-12(2)20-10-7-13(8-11-20)18(23)21-9-3-4-14(21)15-5-6-16(24-15)17(19)22/h5-6,12-14H,3-4,7-11H2,1-2H3,(H2,19,22)/t14-/m0/s1
InChIKeySVMZDMQFOPRVJP-AWEZNQCLSA-N
MW349.50 g/mol
LogP2.63
Rot. Bonds4

About 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide

5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 95120298) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID95120298
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCC(C)N1CCC(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)CC1
InChIInChI=1S/C18H27N3O2S/c1-12(2)20-10-7-13(8-11-20)18(23)21-9-3-4-14(21)15-5-6-16(24-15)17(19)22/h5-6,12-14H,3-4,7-11H2,1-2H3,(H2,19,22)/t14-/m0/s1
InChIKeySVMZDMQFOPRVJP-AWEZNQCLSA-N
XLogP2.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136572
5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136573
5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45180406
cyclobutyl-[2-[5-(3,3-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
CID 45183183
5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45205026
[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 97277737
5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45244350
5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30937109
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 92554313
5-[(2S)-1-propanoylpyrrolidin-2-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 92556707
5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30956704
5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45241409

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 95120298) is 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is CC(C)N1CCC(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)CC1.
What is the InChIKey of 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is SVMZDMQFOPRVJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12(2)20-10-7-13(8-11-20)18(23)21-9-3-4-14(21)15-5-6-16(24-15)17(19)22/h5-6,12-14H,3-4,7-11H2,1-2H3,(H2,19,22)/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(1-propan-2-ylpiperidine-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95120298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).